Structure of PDB 7bly Chain A Binding Site BS01
Receptor Information
>7bly Chain A (length=216) Species:
425011
(Aspergillus niger CBS 513.88) [
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SRDIPFGQVITTCTTPNTVALTFDDGPSSYTPQLLDLLSEYKVRATFFVL
GEASQSNPQIIQRIRQEGHQVGSHTYDHTSLPTLSYDQIVQEMTSLESVL
QSTMGDIPTYMRPPYFDVNDLTLQVMSDLGYHVVTASIDTKDYNHNSPDL
ISQSYDKFVTELNNGGNLCLAHDTKEQTVVTLAKMMLDETKSRGLTVTTV
GDCLGDPEASWYRSSR
Ligand information
Ligand ID
ZN
InChI
InChI=1S/Zn/q+2
InChIKey
PTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Zn+2]
Formula
Zn
Name
ZINC ION
ChEMBL
CHEMBL1236970
DrugBank
DB14532
ZINC
PDB chain
7bly Chain A Residue 301 [
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Receptor-Ligand Complex Structure
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PDB
7bly
In silico and in vitro analysis of an Aspergillus niger chitin deacetylase to decipher its subsite sugar preferences.
Resolution
1.81 Å
Binding residue
(original residue number in PDB)
D48 H97 H101
Binding residue
(residue number reindexed from 1)
D25 H74 H78
Annotation score
1
Enzymatic activity
Enzyme Commision number
3.5.1.41
: chitin deacetylase.
Gene Ontology
Molecular Function
GO:0016810
hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
Biological Process
GO:0005975
carbohydrate metabolic process
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Molecular Function
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Biological Process
External links
PDB
RCSB:7bly
,
PDBe:7bly
,
PDBj:7bly
PDBsum
7bly
PubMed
34478709
UniProt
A2QZC8
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